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EVODEX.1-P3483

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([O:3][P:4](=[O:5])([O:6][H:35])[O:7][H:36])([H:37])[H:38])([H:39])([H:40])[H:41].[H][O:29][P:27]([O:26][P:23]([O:22][C:21]([C@@:20]1([H:50])[O:19][C@:18]([N:17]2:[C:13]3:[N:12]:[C:11]([H:42]):[N:10]:[C:9]([N:8]([H:55])[H:56]):[C:14]:3:[N:15]:[C:16]:2[H:43])([H:44])[C@@:33]([O:34][H:53])([H:54])[C@@:31]1([O:32][H:51])[H:52])([H:48])[H:49])(=[O:24])[O:25][H:45])(=[O:28])[O:30][H:47]>>[H][O:3][C:2]([C:1]([H:39])([H:40])[H:41])([H:37])[H:38].[P:4](=[O:5])([O:6][H:35])([O:7][H:36])[O:29][P:27]([O:26][P:23]([O:22][C:21]([C@@:20]1([H:50])[O:19][C@:18]([N:17]2:[C:13]3:[N:12]:[C:11]([H:42]):[N:10]:[C:9]([N:8]([H:55])[H:56]):[C:14]:3:[N:15]:[C:16]:2[H:43])([H:44])[C@@:33]([O:34][H:53])([H:54])[C@@:31]1([O:32][H:51])[H:52])([H:48])[H:49])(=[O:24])[O:25][H:45])(=[O:28])[O:30][H:47]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E162 - Reaction Operator E

Reaction Operator E SMIRKS

([#15:25]-[#8:27]-[H].[#8:30]-[#6@@:29](-[#6@@:22])(-[H:45])-[#6@:31](-[#6@:20])(-[#8:32])-[H:47]).[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]-[#6:9]>>([#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:27]-[#15:25].[#8:32]-[#6@:31](-[#6@:20])(-[H:47])-[#6@@:29](-[#6@@:22])(-[#8:30])-[H:45]).[#8:8](-[#6:9])-[H]

EVODEX.1-C25 - Reaction Operator C

Reaction Operator C SMIRKS

[#15:14]-[#8:17].[H]-[#8:56]>>[#15:14]-[#8:56].[H]-[#8:17]

EVODEX.1-N1103 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8].[H]-[#8:25]-[#15:23]>>[H]-[#8:4]-[#6:2].[#15:5](=[#8:6])(-[#8:7])(-[#8:8])-[#8:25]-[#15:23]

EVODEX.1-Em65 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:144]-[#8:145]-[#15:146](=[#8:147])(-[#8:148])-[#8:149].[H]-[#8:122]-[#15:120]>>[H]-[#8:145]-[#6:144].[#15:120]-[#8:122]-[#15:146](=[#8:147])(-[#8:148])-[#8:149]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm78 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:144]-[#8:145]-[#15:146](=[#8:147])(-[#8:148])-[#8:149].[H]-[#8:122]-[#15:120]>>[H]-[#8:145]-[#6:144].[#15:120]-[#8:122]-[#15:146](=[#8:147])(-[#8:148])-[#8:149]

Source Full Reactions

EVODEX.1-R4171

Full Reaction Rendering

[C:1]([C:2]([O:3][P:4](=[O:5])([O:6][H:35])[O:7][H:36])([H:37])[H:38])([H:39])([H:40])[H:41].[H][O:29][P:27]([O:26][P:23]([O:22][C:21]([C@@:20]1([H:50])[O:19][C@:18]([N:17]2:[C:13]3:[N:12]:[C:11]([H:42]):[N:10]:[C:9]([N:8]([H:55])[H:56]):[C:14]:3:[N:15]:[C:16]:2[H:43])([H:44])[C@@:33]([O:34][H:53])([H:54])[C@@:31]1([O:32][H:51])[H:52])([H:48])[H:49])(=[O:24])[O:25][H:45])(=[O:28])[O:30][H:47]>>[H][O:3][C:2]([C:1]([H:39])([H:40])[H:41])([H:37])[H:38].[P:4](=[O:5])([O:6][H:35])([O:7][H:36])[O:29][P:27]([O:26][P:23]([O:22][C:21]([C@@:20]1([H:50])[O:19][C@:18]([N:17]2:[C:13]3:[N:12]:[C:11]([H:42]):[N:10]:[C:9]([N:8]([H:55])[H:56]):[C:14]:3:[N:15]:[C:16]:2[H:43])([H:44])[C@@:33]([O:34][H:53])([H:54])[C@@:31]1([O:32][H:51])[H:52])([H:48])[H:49])(=[O:24])[O:25][H:45])(=[O:28])[O:30][H:47]